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John Chodera

Computational & Systems Biology Program / Memorial Sloan Kettering Cancer Center /

Application Areas

Artificial Intelligence


John Chodera is an Assistant Member at the Sloan-Kettering Institute and Memorial Sloan-Kettering Cancer Center, and an Assistant Professor in the Physiology, Biophysics, and Systems Biology Program at the Weill Cornell Graduate School of Medical Sciences. He has spent over a decade developing efficient algorithms for conducting and analyzing molecular simulations to characterize biomolecular thermodynamics and kinetics. His laboratory at MSKCC uses both computation and experiment to advance the utility of alchemical free energy methods for the rational design of potent, selective small-molecule therapeutics.

Research Interests

The Chodera lab uses computation and experiments to develop quantitative, multiscale models of the effects of small molecules on biomolecular macromolecules and cellular pathways. To do this, the group utilizes physical models and rigorous statistical mechanics, with the overall goals of engineering novel therapeutics and tools for chemical biology, as well as understanding the physical driving forces behind ligand recognition the evolution of resistance mutations.


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